N-(3,3-dimethylpentyl)formamide

C8H17NO — CID 143115994

IUPACN-(3,3-dimethylpentyl)formamide
SMILESCCC(C)(C)CCNC=O
InChIInChI=1S/C8H17NO/c1-4-8(2,3)5-6-9-7-10/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyKOGGIPDXWKGSSV-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.56
Rot. Bonds5

About N-(3,3-dimethylpentyl)formamide

N-(3,3-dimethylpentyl)formamide (PubChem CID 143115994) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is N-(3,3-dimethylpentyl)formamide.

Molecular Properties

Compound NameN-(3,3-dimethylpentyl)formamide
PubChem CID143115994
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC NameN-(3,3-dimethylpentyl)formamide
SMILESCCC(C)(C)CCNC=O
InChIInChI=1S/C8H17NO/c1-4-8(2,3)5-6-9-7-10/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyKOGGIPDXWKGSSV-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(6-ethoxy-3,3,5,5-tetramethylhexyl)formamide
CID 167233671
N-(3,3-dimethylbutyl)-3,3-dimethylpentan-1-amine
CID 170291391
1-(3,3-dimethylpentyl)-2-methylhydrazine
CID 19367962
ethane;N-(3-hydroxy-3-methylbutyl)formamide;N-methylpropan-2-amine
CID 176960936
N-(6,6-dimethylheptyl)formamide
CID 166796466
N-[2-(ethylamino)ethyl]formamide
CID 54012560
2,2-dimethylpropane;ethane;N-ethylformamide
CID 142479182
N-(4,4-dimethylpentyl)-4,4-dimethylhexan-1-amine
CID 138739641
N-(5,5-dimethylheptyl)hydroxylamine
CID 143799297
N-[(3,3-dimethylbutylamino)methyl]formamide
CID 167581609
6,6-dimethyloct-2-enal
CID 91307971
N-tetracosylformamide
CID 54077607

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylpentyl)formamide?
The IUPAC name of N-(3,3-dimethylpentyl)formamide (CID 143115994) is N-(3,3-dimethylpentyl)formamide.
What is the SMILES notation for N-(3,3-dimethylpentyl)formamide?
The canonical SMILES for N-(3,3-dimethylpentyl)formamide is CCC(C)(C)CCNC=O.
What is the InChIKey of N-(3,3-dimethylpentyl)formamide?
The InChIKey is KOGGIPDXWKGSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-4-8(2,3)5-6-9-7-10/h7H,4-6H2,1-3H3,(H,9,10).
What are the key properties of N-(3,3-dimethylpentyl)formamide?
N-(3,3-dimethylpentyl)formamide has a molecular weight of 143.23 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylpentyl)formamide is sourced from PubChem (CID 143115994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).